Compound Detail

CHEMBL73502

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Nc1nc2c(ncn2[C@@H]2O[C@H](CO)C[C@H]2O)c(=O)[nH]1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL73502
Phase	Preclinical
Structure Type	MOL
InChI Key	OROIAVZITJBGSM-OBXARNEKSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

267.2

MW (Da)

-1.66

ALogP

HBA

HBD

139.3

PSA (Å²)

0.51

QED

Ro5 Violations

Rot. Bonds

Natural Product First in Class Prodrug

IC50 3 meas. best 7.1

EC50 1 meas. best 4.3

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Unchecked CHEMBL612545	IC50	7.1	7.1	80.0	1
NON-PROTEIN TARGET CHEMBL3879801	IC50	6.22	6.22	600.0	1
RNA-directed RNA polymerase CHEMBL4296320	IC50	6.22	6.22	600.0	1
RNA-directed RNA polymerase CHEMBL4296320	EC50	4.3	4.3	50000.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Unchecked	IC50	=	80.0	nM	7.1	Inhibition of Hepatitis C virus NS5B RNA-dependent RNA polymerase	22516671
RNA-directed RNA polymerase	IC50	=	600.0	nM	6.22	Inhibition HCV NS5B-mediated RNA synthesis	15084127
NON-PROTEIN TARGET	IC50	=	600.0	nM	6.22	Inhibitory concentration against hepatitis C virus NS5B-mediated RNA synthesis i...	15715486
RNA-directed RNA polymerase	EC50	=	50000.0	nM	4.3	Inhibition HCV RNA replication	15084127

PubMed	DOI	Target Context	# Activities
15084127	10.1021/jm030424e	RNA-directed RNA polymerase	2
15715486	10.1021/jm0495172	Unchecked	1
15715486	10.1021/jm0495172	NON-PROTEIN TARGET	1
22516671	10.1016/j.bmc.2012.03.049	Unchecked	1

Data from ChEMBL 36 via Core Engine